N-[[4-chloranyl-2-(phenylcarbonyl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[[4-chloranyl-2-(phenylcarbonyl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(2-benzoyl-4-chloro-phenyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[(2-benzoyl-4-chloroanilino)-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(2-benzoyl-4-chloro-phenyl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C25H21ClN4O5S MolecularWeight: 524.97604

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H21ClN4O5S/c26-18-7-8-20(19(15-18)23(31)16-4-2-1-3-5-16)27-25(36)28-24(32)17-6-9-21(22(14-17)30(33)34)29-10-12-35-13-11-29/h1-9,14-15H,10-13H2,(H2,27,28,32,36)